BDBM50145136 CHEMBL3763963

SMILES: Cn1ccnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=CTGPUFQNQVNVGF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50145136   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145136 (CHEMBL3763963) Show SMILES Cn1ccnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O/c1-29-10-9-25-19(29)16-17(11-5-7-12(8-6-11)21(22,23)24)26-14-4-2-3-13-15(14)18(16)27-28-20(13)30/h2-10,16-17,26H,1H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145136 (CHEMBL3763963) Show SMILES Cn1ccnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O/c1-29-10-9-25-19(29)16-17(11-5-7-12(8-6-11)21(22,23)24)26-14-4-2-3-13-15(14)18(16)27-28-20(13)30/h2-10,16-17,26H,1H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair